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Ionic Tunability of Conjugated Polyelectrolyte Solutions

Conjugated polyelectrolytes (CPEs), which combine a π-conjugated polymer backbone with pendant ionic functionalities, offer an opportunity for electrostatic control of materials properties. In this work, the mesoscale morphology and physical properties of a high-mobility conjugated polyelectrolyte are tuned by the addition of salt, variation of the charge-compensating counterion, and complexation with an oppositely charged polyelectrolyte containing the same π-conjugated backbone. In systems with a single polyelectrolyte species, added ions screen the electrostatic repulsions stabilizing the gel-phase, resulting in the dissolution of ionic cross-links and hydrophobic collapse. Further, exchanging the charge compensating counterion is found to enable finer structural control of the solution behavior and modulation of the self-doping behavior. Finally, novel CPE–CPE complexes resulting in dense solutions and gels of semiconductive material are produced by combination of oppositely charged polyelectrolytes. Such concentrated CPE formulations should be useful materials for mixed electronic–ionic conduction and pseudocapacitative energy storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evidence of a liquid–liquid transition in a glass-forming ionic liquid

A liquid–liquid transition (LLT) is a transformation from one liquid to another through a first-order transition. The LLT is fundamental to the understanding of the liquid state and has been reported in a few materials such as silicon, phosphorus, triphenyl phosphite, and water. Furthermore, it has been suggested that the unique properties of materials such as water, which is critical for life on the planet, are linked to the existence of the LLT. However, the experimental evidence for the existence of an LLT in many molecular liquids remains controversial, due to the prevalence and high propensity of the materials to crystallize. In this work, we show evidence of an LLT in a glass-forming trihexyltetradecylphosphonium borohydride ionic liquid that shows no tendency to crystallize under normal laboratory conditions. We observe a step-like increase in the static dielectric permittivity at the transition. Furthermore, the sizes of nonpolar local domains and ion-coordination numbers deduced from wide-angle X-ray scattering also change abruptly at the LLT. We independently corroborate these changes in local organization using Raman spectroscopy. The experimental access to the evolution of local order and structural dynamics across a liquid–liquid transition opens up unprecedented possibilities to understand the nature of the liquid state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vertical Structure and Ice Production Processes of Shallow Convective Postfrontal Clouds over the Southern Ocean in MARCUS. Part I: Observational Study

A study of the vertical structure of postfrontal shallow clouds in the marine boundary layer over the Southern Ocean is presented here. The central question of this two-part study regards cloud phase (liquid/ice) of precipitation, and the associated growth mechanisms. In this first part, data from the Measurements of Aerosols, Radiation, and Clouds over the Southern Ocean (MARCUS) field campaign are analyzed, starting with a 75-h case with continuous sea surface-based thermal instability, modest surface heat fluxes, an open-cellular mesoscale organization, and very few ice nucleating particles (INPs). The clouds are mostly precipitating and shallow (tops mostly around 2 km above sea level), with weak up- and downdrafts, and with cloud-top temperatures generally around –18° to –10°C. Further, the case study is extended to three other periods of postfrontal shallow clouds in MARCUS. While abundant supercooled liquid water is commonly present, an experimental cloud-phase algorithm classifies nearly two-thirds of clouds in the 0° to –5°C layer as containing ice (cloud ice, snow, or mixed phase), implying that much of the precipitation grows through cold-cloud processes. The best predictors of ice presence are cloud-top temperature, cloud depth, and INP concentration. Measures of convective activity and turbulence are found to be poor indicators of ice presence in the studied environment. The water-phase distribution in this cloud regime is explored through numerical simulations in Part II. Significance Statement: Climate models generally predict a lower albedo than observed over the Southern Ocean, and this is largely attributed to a lack of cloudiness, especially in the postfrontal cold sector of midlatitude cyclones. This in turn may be due to an excess of ice in these simulated clouds, resulting in rapid precipitation fallout and an overly brief cloud lifespan. The objective of this study is to examine whether shallow postfrontal clouds over the Southern Ocean are dominated by supercooled drops, or by snow and ice, using data collected by a U.S. Department of Energy Atmospheric Radiation Measurement Mobile Facility deployed aboard an Australian Antarctic supply vessel. We find that these clouds contain much supercooled liquid, even though cloud-top temperatures generally are around –18° to –8°C, and that about two-thirds of the clouds just above the freezing level contain ice. Much of the precipitation appears to grow through cold-cloud processes above the freezing level, rather than drizzle/rain. Updrafts and/or turbulence in convection or in cloud-top generating cells do not initiate much ice, compared to observations elsewhere in a similar temperature range. This may be attributable to the extremely low concentration of ice nucleating particles in this environment. Ultimately, the deepest clouds with the coldest cloud tops are most likely to be ice dominated.

54 ENVIRONMENTAL SCIENCES↗

Multi-scale modeling of the evolution of structure and properties in materials for nuclear energy applications

Nuclear energy is an important component of an overall strategy to address climate change. Idaho National Laboratory (INL) is the U.S. Department of Energy’s primary facility for research and development in nuclear science and technology for energy generation, supporting the improvement and life extension of the existing reactor fleet and the development and licensing of new reactor designs. Computational modeling is an important component of these activities, particularly in the area of materials for nuclear applications, where experimental data can be very challenging and expensive to acquire, and where data is especially scarce for new reactor designs. INL has used multi-scale modeling – linking atomistic, mesoscale, and engineering scales – to improve the ability to predict the performance of materials for nuclear energy applications. These modeling efforts make extensive of MOOSE (Multiphysics Object-Oriented Simulation Environment), a general-purpose open source finite element framework developed at INL. In this talk, I will give an overview of the approach and tools used, and several examples of application, including performance of nuclear fuels, understanding radiation-driven formation of nanoscale void and gas bubble superlattices, and powder densification through electric field assisted sintering.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multi-scale modeling of the evolution of structure and properties in materials for nuclear energy applications

Nuclear energy is an important component of an overall strategy to address climate change. Idaho National Laboratory (INL) is the U.S. Department of Energy’s primary facility for research and development in nuclear science and technology for energy generation, supporting the improvement and life extension of the existing reactor fleet and the development and licensing of new reactor designs. Computational modeling is an important component of these activities, particularly in the area of materials for nuclear applications, where experimental data can be very challenging and expensive to acquire, and where data is especially scarce for new reactor designs. INL has used multi-scale modeling – linking atomistic, mesoscale, and engineering scales – to improve the ability to predict the performance of materials for nuclear energy applications. These modeling efforts make extensive of MOOSE (Multiphysics Object-Oriented Simulation Environment), a general-purpose open source finite element framework developed at INL. In this talk, I will give an overview of the approach and tools used, and several examples of application, including performance of nuclear fuels, understanding radiation-driven formation of nanoscale void and gas bubble superlattices, and powder densification through electric field assisted sintering.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Multi-Scale Modeling of the Evolution of Structure and Properties in Materials for Nuclear Energy Applications [Slides]

Nuclear energy is an important component of an overall strategy to address climate change. Idaho National Laboratory (INL) is the U.S. Department of Energy’s primary facility for research and development in nuclear science and technology for energy generation, supporting the improvement and life extension of the existing reactor fleet and the development and licensing of new reactor designs. Computational modeling is an important component of these activities, particularly in the area of materials for nuclear applications, where experimental data can be very challenging and expensive to acquire, and where data is especially scarce for new reactor designs. INL has used multi-scale modeling – linking atomistic, mesoscale, and engineering scales – to improve the ability to predict the performance of materials for nuclear energy applications. In this talk, I will give an overview of the approach and tools used, and several examples of application, including performance of nuclear fuels, understanding radiation-driven formation of nanoscale void and gas bubble superlattices, and powder densification through electric field assisted sintering.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Photoconversion in Disordered Semiconductors: Spatial, Spectral, and Temporal Insights through Nonlinear Microscopy (Final Technical Report)

Conversion of solar photons to useable energy requires two processes to occur successfully in a light-harvesting material: 1) the initial photoexcited state must efficiently produce excited states that are free to move, and 2) those states must be transported to a new location where they can do useful work before any potential is lost as heat. The core focus of this project examined the spatial and energetic dynamics of these two primary events of photoconversion in solution-processed semiconducting materials. The electronic properties of these systems are complex and strongly influenced by the cumulative interaction of local morphology and composition, along with defects, interfaces, and trap sites. It is therefore important to interrogate these systems at the local level, where structural and compositional heterogeneity can be precisely correlated to variation in functionality. Utilizing ultrafast laser spectroscopy coupled together with optical microscopy, this project examined how excited states and free charges spatially and energetically evolve on length scales between 10 nanometers and 10 microns and on timescales from 50 femtoseconds to 1 nanosecond. Insights gained from measurements made on these characteristic length and time scales provided new insight into how macroscopic functionality in disordered photovoltaic materials emerges from the interplay of nanoscale and mesoscale interactions.

14 SOLAR ENERGY↗

High resolution atmospheric and surface variability from combined MAMS and VAS radiances

Measuring of the variation of atmospheric and surface quantities such as moisture and stability at small scales is an important step to monitoring, understanding and forecasting mesoscale processes. For instance, moisture and stability products from the geostationary platform VISSR Atmospheric Sounder (VAS) exhibit interesting detail at the meso B (20-200 km) level (Chesters et al., 1986; Smith et al., 1985). However, variations at the meso C scale (2-20 km) and at the lower end of the meso B scale (20-100 km) suffer from the effects of noise. Noise can be greatly reduced by using a high resolution data collection system. The Multispectral Atmospheric Mapping Sensor (MAMS), with its 100-m resolution over a 36km swath, is well suited to provide high resolution mesoscale information about the atmosphere and surface of the earth. A more complete depiction of the atmospheric state at the smaller scales is possible through the combination of the high horizontal resolution MAMS data with the vertical sounding data of the VAS. This paper demonstrates a procedure for combining MAMS and VAS data in a physical retrieval to produce high resolution derived products of precipitable water (PW), lifted index (LI), and skin temperature (TS). The variability of these products is evaluated in a structure function analysis similar to that of Hillger and Vonder Haar (1979). Results for 19 June 1986 from the Cooperative Hunstville Meteorological Experiment (COHMEX) are presented.

Moeller, Christopher C.↗

On the Long-Term Variability of Jupiter's Winds and Brightness as Observed from Hubble

Hubble Space Telescope Wide Field Planetary Camera 2 imaging data of Jupiter were combined with wind profiles from Voyager and Cassini data to study long-term variability in Jupiter's winds and cloud brightness. Searches for evidence of wind velocity periodicity yielded a few latitudes with potential variability; the most significant periods were found nearly symmetrically about the equator at 0 deg., 10-12 deg. N, and 14-18 deg. S planetographic latitude. The low to mid-latitude signals have components consistent with the measured stratospheric temperature Quasi-Quadrennial Oscillation (QQO) period of-5 years, while the equatorial signal is approximately seasonal and could be tied to mesoscale wave formation, robustness tests indicate that a constant or continuously varying periodic signal near 4.5 years would appear with high significance in the data periodograms as long as uncertainties or noise in the data are not of greater magnitude. However, the lack of a consistent signal over many latitudes makes it difficult to interpret as a QQO-related change. In addition, further analyses of calibrated 410-nm and 953-nm brightness scans found few corresponding changes in troposphere haze and cloud structure on QQO timescales. However, stratospheric haze reflectance at 255-nm did appear to vary on seasonal timescales, though the data do not have enough temporal coverage or photometric accuracy to be conclusive. Sufficient temporal coverage and spacing, as well as data quality, are critical to this type of search.

Simon-Miller, Amy A.↗

Staggered scheme for the compressible fluctuating hydrodynamics of multispecies fluid mixtures

Here, we present a numerical formulation for the solution of nonisothermal, compressible Navier-Stokes equations with thermal fluctuations to describe mesoscale transport phenomena in multispecies fluid mixtures. The novelty of our numerical method is the use of staggered grid momenta along with a finite volume discretization of the thermodynamic variables to solve the resulting stochastic partial differential equations. The key advantages of the numerical scheme are that it significantly simplifies the discretization of diffusive and stochastic momentum fluxes into a more compact form, and it provides an unambiguous prescription of boundary conditions involving pressure. The staggered grid scheme more accurately reproduces the equilibrium static structure factor of hydrodynamic fluctuations in gas mixtures compared to a collocated scheme described previously by Balakrishnan et al. [Phys. Rev. E 89, 013017 (2014)1539-375510.1103/PhysRevE.89.013017]. The numerical method is tested for ideal noble gases mixtures under various nonequilibrium conditions, such as applied thermal and concentration gradients, to assess the role of cross-diffusion effects, such as Soret and Dufour, on the long-ranged correlations of hydrodynamic fluctuations, which are also more accurately reproduced compared to the collocated scheme. We numerically study giant nonequilibrium fluctuations driven by concentration gradients and fluctuation-driven Rayleigh-Taylor instability in gas mixtures. Wherever applicable, excellent agreement is observed with theory and measurements from the direct simulation Monte Carlo method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A multi-length-scale investigation of the applicability of ductility laws for annealed and work-hardened copper

Small-scale mechanical testing provides unique advantages over conventional testing in investigating the mechanical response of nuclear materials. While small-scale testing enables accelerated materials research, it raises the question of comparability to large-scale properties for engineering design considerations. Among different mechanical properties for structural design considerations such as yield and ultimate tensile stress, ductility is of critical importance with respect to structural component health. The effectiveness of using small-scale mechanical testing for probing these mechanical properties is dictated by understanding how the mechanical responses translate from the microscale to the engineering scale. Therefore, a better understanding of size scaling effects via gathering and analysis of experimental data is required to bridge length-scales. Further, this work builds upon previous reports to provide statistical data on how mechanical response changes as the size of the specimens are reduced from conventional sizes. One hundred twenty mesoscale tensile coupons of oxygen-free high thermal conductivity (OFHC) copper in work-hardened and annealed state have been manufactured using micro-wire electrical discharge machining (EDM) and tested under uniaxial tension. The mesoscale specimens have dimensions dictated by pre-selected geometric ratios (i.e., gauge section length over the square root of the cross-section area) with gauge length dimensions of 3 mm (or less) and sub-millimeter gauge widths and thicknesses. The mesoscale responses were compared to bulkscale properties to reveal the effect of specimen size on the mechanical response as a function of grain size and material state for a single phase face-centered cubic metal.

36 MATERIALS SCIENCE↗

The Future of LANSCE [Slides]

LANSCE is a NNSA Center for Materials and Nuclear Research. An aging stockpile presents unique challenges in materials and nuclear science. The grand challenge of a predictive materials capability includes design to manufacture and born certified. This requires capability to study manufacture to structure relationships and capability to study structure to performance relationships. LANSCE has the capabilities needed for this mission. We leverage our capability to provide broader benefit to the Nation including production of medical isotopes, industrial irradiation facility for electronics certification, and fundamental materials and physics research. The LANSCE linear accelerator is nearly 50 years old. The severity of maintenance issues is increasing. We must reinvest in LANSCE to ensure mission delivery into the future. We must develop new capability to be responsive to changing mission needs. Ultimately this will require a Dynamic Mesoscale Materials Science Capability. Now we must develop a pathway to MaRIE that ensures continued operation of LANSCE.

43 PARTICLE ACCELERATORS↗

Scientific goals of the Cooperative Multiscale Experiment (CME)

Mesoscale Convective Systems (MCS) form the focus of CME. Recent developments in global climate models, the urgent need to improve the representation of the physics of convection, radiation, the boundary layer, and orography, and the surge of interest in coupling hydrologic, chemistry, and atmospheric models of various scales, have emphasized the need for a broad interdisciplinary and multi-scale approach to understanding and predicting MCS's and their interactions with processes at other scales. The role of mesoscale systems in the large-scale atmospheric circulation, the representation of organized convection and other mesoscale flux sources in terms of bulk properties, and the mutually consistent treatment of water vapor, clouds, radiation, and precipitation, are all key scientific issues concerning which CME will seek to increase understanding. The manner in which convective, mesoscale, and larger scale processes interact to produce and organize MCS's, the moisture cycling properties of MCS's, and the use of coupled cloud/mesoscale models to better understand these processes, are also major objectives of CME. Particular emphasis will be placed on the multi-scale role of MCS's in the hydrological cycle and in the production and transport of chemical trace constituents. The scientific goals of the CME consist of the following: understand how the large and small scales of motion influence the location, structure, intensity, and life cycles of MCS's; understand processes and conditions that determine the relative roles of balanced (slow manifold) and unbalanced (fast manifold) circulations in the dynamics of MCS's throughout their life cycles; assess the predictability of MCS's and improve the quantitative forecasting of precipitation and severe weather events; quantify the upscale feedback of MCS's to the large-scale environment and determine interrelationships between MCS occurrence and variations in the large-scale flow and surface forcing; provide a data base for initialization and verification of coupled regional, mesoscale/hydrologic, mesoscale/chemistry, and prototype mesoscale/cloud-resolving models for prediction of severe weather, ceilings, and visibility; provide a data base for initialization and validation of cloud-resolving models, and for assisting in the fabrication, calibration, and testing of cloud and MCS parameterization schemes; and provide a data base for validation of four dimensional data assimilation schemes and algorithms for retrieving cloud and state parameters from remote sensing instrumentation.

Cotton, William↗

Chemical and Structural Insights into Solid Electrolyte Interphase Evolution for Sodium Metal Electrodes

The solid electrolyte interphase (SEI) critically governs the reversibility of sodium metal batteries, through dynamically mediating ion transport and interfacial reactions. However, its kinetic evolution under operating conditions, and how it influences interfacial stability, remains poorly understood. Here, in this study, we reveal that the SEI undergoes coupled chemical and mechanical changes during sodium plating and stripping, leading to spatial and temporal heterogeneity that drives interfacial degradation. Synchrotron operando grazing-incidence wide-angle X-ray scattering and soft X-ray absorption spectroscopy capture the sequential formation and dissolution of inorganic SEI phases (NaF, NaH, NaOH, Na 2 PO 3 F), accompanied by depth-dependent alterations in organic SEI components. Mesoscale modeling connects this evolving SEI heterogeneity to localized current density fluctuations and stress accumulation at the Na interface, identifying pathways to electrically isolated sodium formation. These findings show that SEI instability fundamentally limits reversibility in sodium metal batteries, and that controlling SEI chemistry–mechanics coupling is essential to achieving its durability.

36 MATERIALS SCIENCE↗

The Arctic tropopause fold

Analyses of research-aircraft observations, satellite total-columnar-ozone retrievals, and synoptic upper-air soundings are used to describe the structure of Arctic jetstreams and their associated frontal zones and tropopause folds. These analyses document the presence of major tropopause folding events within the Arctic that occur at the flanks of large-scale (about 2000 km) polar vortices. One example shows a solar vortex and its associated tropopause fold and Arctic front that migrated from the high Canadian Arctic southward into midlatitudes over central North America. Total columnar ozone measurements from the Total Ozone Mapping Spectrometer are shown to identify the location of polar vortices and the mesoscale (about 200 km) ozone gradients at the flanks of these vortices, which coincide with regions of Arctic tropopause folding and associated stratospheric-tropospheric exchange processes.

Shapiro, M. A.↗

Multilayer interface tracking model of pure tungsten oxidation

Here, we present a numerical model to predict oxide scale growth on tungsten surfaces under exposure to oxygen at high temperatures. The model captures the formation of four thermodynamically-compatible oxide sublayers, WO 2 , WO 2.72 , WO 2.9 , and WO 3 , on top of the metal substrate. Oxide layer growth is simulated by tracking the oxide/oxide and oxide/metal interfaces using a sharp-interface Stefan model coupled to diffusion kinetics. The model is parameterized using selected experimental measurements and electronic structure calculations of the diffusivities of all the oxide subphases involved. We simulate oxide growth at temperatures of 600°C and above, extracting the power law growth exponents in each case, which we find to deviate from classical parabolic growth in several cases. We conduct a comparison of the model predictions with an extensive experimental data set, with reasonable agreement at most temperatures. While many gaps in our understanding still exist, this work is a first attempt at embedding the thermodynamic and kinetic complexity of tungsten oxide growth into a comprehensive mesoscale kinetic model that attempts to capture the essential features of tungsten oxidation to fill existing knowledge gaps and guide and enhance future tungsten oxidation models.

36 MATERIALS SCIENCE↗

Combining New Satellite Tools and Models to Examine Role of Mesoscale Interactions in Formation and Intensification of Tropical Cyclones

The objective of this research is to start filling the mesoscale gap to improve understanding and probability forecasts of formation and intensity variations of tropical cyclones. Sampling by aircraft equipped to measure mesoscale processes is expensive, thus confined in place and time. Hence we turn to satellite products. This paper reports preliminary results of a tropical cyclone genesis and early intensification study. We explore the role of mesoscale processes using a combination of products from TRMM, QuikSCAT, AMSU, also SSM/I, geosynchronous and model output. Major emphasis is on the role of merging mesoscale vortices. These initially form in midlevel stratiform cloud. When they form in regions of lowered Rossby radius of deformation (strong background vorticity) the mesoscale vortices can last long enough to interact and merge, with the weaker vortex losing vorticity to the stronger, which can then extend down to the surface. In an earlier cyclongenesis case (Oliver 1993) off Australia, intense deep convection occurred when the stronger vortex reached the surface; this vortex became the storm center while the weaker vortex was sheared out as the major rainband. In our study of Atlantic tropical cyclones originating from African waves, we use QuikSCAT to examine surface winds in the African monsoon trough and in the vortices which move westward off the coast, which may or may not undergo genesis (defined by NHC as reaching TD, or tropical depression, with a west wind to the south of the surface low). We use AMSU mainly to examine development of warm cores. TRMM passive microwave TMI is used with SSM/I to look at the rain structure, which often indicates eye formation, and to look at the ice scattering signatures of deep convection. The TRMM precipitation radar, PR, when available, gives precipitation cross sections. So far we have detailed studies of two African-origin cyclones, one which became severe hurricane Floyd 1999, and the other reached TD2 in June 2000 and then died out. The atmosphere off West African is dry and stable. It becomes less so between June and September, as the SST and convection heat up. QuikSCAT shows the African monsoon trough and shear zone extend westward over the ocean to nearly 30 degrees West. The evidence is strong that the two cyclones had in common multiple midlevel mergers, which extended to the surface keeping the surface vortex strong. These continued until both systems were designated TD's by NHC. In the June 2000 case, the main reason for failure was the lower SST and dry, stable atmosphere. This is shown by the comparison of the equivalent potential temperature maps and profiles with those from pre-Floyd. In the vortex which became Floyd, QuikSCAT shows continuous importation of high theta e (warm, moist) air from the south. From September 2-8, this air flowed around the vortex center, building up a high theta-e pool to the north. Then late on September 9, a 100-km wide jet of high theta-e air penetrated the vortex core, a major convective burst' was observed, and an intensifying, more elevated warm core was seen on AMSU. Rapid pressure fall and wind intensification were underway by 0000 UTC on September 10. Floyd became a Hurricane at 1200 UTC on Sept 10, 1999, with successive convective bursts running the hurricane thermodynamic engine by intensifying the warm core. TD2 was a strong African vortex, sustained by moderate convection (up to about 12.5 km) offshore of Africa. It peaked on June 23, showing an apparent "eye" on passive microwave composites. However, it could not assemble the ingredients for a convective burst. Thus it failed to get the thermodynamic hurricane engine going before it moved too far west of the region of lowered Rossby radius. By June 26, cloud systems were dying out. On June 25, a surface vortex was no longer seen on QuikSCAT, although one continued above the surface on model profiles until June 27. One of our main findings so far is showing the role of the mesoscale vortex interactions in sustaining some African vortices far out in to the mid Atlantic, where under adequate thermal/moisture conditions the hurricane heat engine can sometimes be started. We are working on similar studies of Cindy and Irene 1999. Cindy illustrates a case of wind shear working against an early-stage hurricane heat engine, while Irene formed from a Caribbean wave. An enormous value of combinations of satellite tools is that tropical cyclones can be studied in all parts of the global oceans where they occur. Detailed studies like ours are labor intensive but many statistical studies can be based on physical postulates developed. There are other new tools such as MODIS on TERRA of the Earth Observing System (EOS) which can be used to study the microphysics of tropical cyclones world wide, in particular to investigate the presence of mixed phase and the impact of atmospheric aerosols on the hydrometeor structure and rainfall from tropical cyclones.

Simpson, Joanne↗

Sensitivity of High-Resolution Simulations of Hurricane Bob (1991) to Planetary Boundary Layer Parameterizations

The MM5 mesoscale model is used to simulate Hurricane Bob (1991) using grids nested to high resolution (4 km). Tests are conducted to determine the sensitivity of the simulation to the available planetary boundary layer parameterizations, including the bulk-aerodynamic, Blackadar, Medium-RanGe Forecast (MRF) model, and Burk-Thompson boundary-layer schemes. Significant sensitivity is seen, with minimum central pressures varying by up to 17 mb. The Burk-Thompson and bulk-aerodynamic boundary-layer schemes produced the strongest storms while the MRF scheme produced the weakest storm. Precipitation structure of the simulated hurricanes also varied substantially with the boundary layer parameterizations. Diagnostics of boundary-layer variables indicated that the intensity of the simulated hurricanes generally increased as the ratio of the surface exchange coefficients for heat and momentum, C(sub h)/C(sub M), although the manner in which the vertical mixing takes place was also important. Findings specific to the boundary-layer schemes include: 1) the MRF scheme produces mixing that is too deep and causes drying of the lower boundary layer in the inner-core region of the hurricane; 2) the bulk-aerodynamic scheme produces mixing that is probably too shallow, but results in a strong hurricane because of a large value of C(sub h)/C(sub M) (approximately 1.3); 3) the MRF and Blackadar schemes are weak partly because of smaller surface moisture fluxes that result in a reduced value of C(sub h)/C(sub M) (approximately 0.7); 4) the Burk-Thompson scheme produces a strong storm with C(sub h)/C(sub M) approximately 1; and 5) the formulation of the wind-speed dependence of the surface roughness parameter, z(sub 0), is important for getting appropriate values of the surface exchange coefficients in hurricanes based upon current estimates of these parameters.

Braun, Scott A.↗